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Polarographic reduction mechanism and quantum chemical calculations of some α‐arylhydrazononitriles
Author(s) -
Ismail M. I.
Publication year - 1991
Publication title -
journal of chemical technology and biotechnology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.64
H-Index - 117
eISSN - 1097-4660
pISSN - 0268-2575
DOI - 10.1002/jctb.280510203
Subject(s) - polarography , reduction (mathematics) , quantum chemical , mechanism (biology) , chemistry , computational chemistry , chemical physics , inorganic chemistry , physics , mathematics , quantum mechanics , molecule , organic chemistry , geometry
The polarographic reduction of 2‐arylhydrazono‐3‐keto‐3‐phenylpropionitriles ( I a–i ) and 2‐arylhydrazono‐3‐ketobutyronitriles ( II a–i ) over a wide pH range is reported and discussed. The mechanism of the electrode process is elucidated and confirmed via coulometric analysis, quantum chemical calculations and IR spectra of the electrolysis products. The molecular structures and molecular orbital energies were calculated and correlated with the redox potentials of these compounds.